(1RS,4aRS,7aRS)-6-{[(3-dimethylamino-2-propoxy)phenyl]acetyl}-4,4-diphenylperhydrothiopyrano[2,3-c]pyrrole 1-oxide

HCID 67745338

Notes Reactions

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Basic information

Standard SMILES: CC(CN(C)C)Oc1ccccc1CC(=O)N1CC2C(C1)C(c1ccccc1)(c1ccccc1)CCS2=O
InChIKey: FXBZLZRMCNKSFP-UHFFFAOYSA-N
Molecular formula: C32H38N2O3S
Average molar mass: 530.7 g/mol

Names & identifiers

Preferred name: (1RS,4aRS,7aRS)-6-{[(3-dimethylamino-2-propoxy)phenyl]acetyl}-4,4-diphenylperhydrothiopyrano[2,3-c]pyrrole 1-oxide
IUPAC: 2-[2-[1-(dimethylamino)propan-2-yloxy]phenyl]-1-(1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)ethanone

Names & synonyms

SCHEMBL8998048FXBZLZRMCNKSFP-UHFFFAOYSA-N(1RS,4aRS,7aRS)-6-{[(3-dimethylamino-2-propoxy)phenyl]acetyl}-4,4-diphenylperhydrothiopyrano[2,3-c]pyrrole 1-oxide

Database identifiers

PubChem CID: 67745338

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 789

Related reactions

2 records

New reaction record

HRID 375496As productuspto-grants-1996_01

HRID 681400As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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